| General Property |
| Molceule ID (DB) | EGIN0001003 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 37 compound |
| IUPAC Name | N-(3-bromophenyl)-5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-amine |
| Formula | C16H15BrN4 |
| Mass | 343.221 |
| Exact Mass | 342.0480091 |
| Composition | C (55.99%), H (4.41%), Br (23.28%), N (16.32%) |
| Atom Count | 36 |
| PI | 10.29 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)Br)c1c([nH]2)CCCC1 |
| InChI | 1S/C16H15BrN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2
,(H2,18,19,20,21) |
| InChIKey | IVQMCCDVGIYFDZ-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 8691423 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Src | PKC alpha | v-Abl | ALL |
| Pub Chem Link |
10569366
|
| Drug Bank Link | - |
| ChemSpider Link | 8744753 |
| ChEMBL Link | CHEMBL72393 |
